Vitas-M small molecule compound
methyl N-[1-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl]tryptophanate
Catalog ID
STL032798
SMILES COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=C1C(=O)N(C)C(=O)N(C1=O)C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H22N4O5 MW 398.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O5/c1-11(16-17(25)23(2)20(28)24(3)18(16)26)22-15(19(27)29-4)9-12-10-21-14-8-6-5-7-13(12)14/h5-8,10,15,21-22H,9H2,1-4H3InChIKey
ATMQBYCNLZJKPH-UHFFFAOYSA-NSynonyms
CC(=C1C(=O)N(C(=O)N(C1=O)C)C)NC(CC2=CNC3=CC=CC=C32)C(=O)OC
COC(=O)C(Cc1c(nH)c2c1cccc2)NC(=C1C(=O)N(C)C(=O)N(C1=O)C)C
InChI=1SC20H22N4O5c111(1617(25)23(2)20(28)24(3)18(16)26)2215(19(27)294)912102114865713(12)14h5810152122H9H214H3
methyl2((1(13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)ethyl)amino)3(1Hindol3yl)propanoate
METHYL2(1(13DIMETHYL246TRIOXO13DIAZINAN5YLIDENE)ETHYLAMINO)3(1HINDOL3YL)PROPANOATE
methylN(1(13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)ethyl)tryptophanate
MFCD04017907
ZINC000020291005
ZINC000020291008
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